2-(4-methoxyphenyl)-5-(2-oxo-2-phenylethyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
2-(4-methoxyphenyl)-5-(2-oxo-2-phenylethyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
2-(4-methoxyphenyl)-5-(2-oxo-2-phenylethyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | C714-0324 |
| Compound Name: | 2-(4-methoxyphenyl)-5-(2-oxo-2-phenylethyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C24 H21 N O3 S |
| Smiles: | COc1ccc(cc1)C1CC(N(CC(c2ccccc2)=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6387 |
| logD: | 4.6387 |
| logSw: | -4.3552 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.469 |
| InChI Key: | CODBPUNNIQAPEF-QHCPKHFHSA-N |